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ChemTrove: Enabling a generic ELN to support chemistry through the use of transferable plug-ins and online data sources

ChemTrove: Enabling a generic ELN to support chemistry through the use of transferable plug-ins and online data sources
ChemTrove: Enabling a generic ELN to support chemistry through the use of transferable plug-ins and online data sources
In designing an Electronic Lab Notebook (ELN), there is a balance to be struck between keeping it as general and multidisciplinary as possible for simplicity of use and maintenance and introducing more domain-specific functionality to increase its appeal to target research areas. Here, we describe the results of a collaboration between the Royal Society of Chemistry (RSC) and the University of Southampton, guided by the aims of the Dial-a-Molecule Grand Challenge, intended to achieve the best of both worlds and augment a discipline-agnostic ELN, LabTrove, with chemistry-specific functionality and using data provided by the ChemSpider platform. This has been done using plug-in technology to ensure maximum transferability with minimal effort of the chemistry functionality to other ELNs and equally other subject-specific functionality to LabTrove. The resulting product, ChemTrove, has undergone a usability trial by selected academics, and the resulting feedback will guide the future development of the underlying ELN technology.
1549-9596
501-509
Day, Aileen E.
6b67ec2c-0d9d-47b3-89ad-33e665352aa9
Coles, Simon
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Bird, Colin
5880b548-6b24-4ae5-8b56-acced401f3e4
Frey, Jeremy
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Whitby, Richard
45632236-ab00-4ad0-a02d-6209043e818b
Tkachenko, Valery E.
b8bec430-b89a-4e6e-97e1-b9ca1728114d
Williams, Antony J.
cbb567c9-072a-42c2-a926-886a08ec7b0c
Day, Aileen E.
6b67ec2c-0d9d-47b3-89ad-33e665352aa9
Coles, Simon
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Bird, Colin
5880b548-6b24-4ae5-8b56-acced401f3e4
Frey, Jeremy
ba60c559-c4af-44f1-87e6-ce69819bf23f
Whitby, Richard
45632236-ab00-4ad0-a02d-6209043e818b
Tkachenko, Valery E.
b8bec430-b89a-4e6e-97e1-b9ca1728114d
Williams, Antony J.
cbb567c9-072a-42c2-a926-886a08ec7b0c

Day, Aileen E., Coles, Simon, Bird, Colin, Frey, Jeremy, Whitby, Richard, Tkachenko, Valery E. and Williams, Antony J. (2015) ChemTrove: Enabling a generic ELN to support chemistry through the use of transferable plug-ins and online data sources. Journal of Chemical Information and Modeling, 55 (3), 501-509. (doi:10.1021/ci5005948).

Record type: Article

Abstract

In designing an Electronic Lab Notebook (ELN), there is a balance to be struck between keeping it as general and multidisciplinary as possible for simplicity of use and maintenance and introducing more domain-specific functionality to increase its appeal to target research areas. Here, we describe the results of a collaboration between the Royal Society of Chemistry (RSC) and the University of Southampton, guided by the aims of the Dial-a-Molecule Grand Challenge, intended to achieve the best of both worlds and augment a discipline-agnostic ELN, LabTrove, with chemistry-specific functionality and using data provided by the ChemSpider platform. This has been done using plug-in technology to ensure maximum transferability with minimal effort of the chemistry functionality to other ELNs and equally other subject-specific functionality to LabTrove. The resulting product, ChemTrove, has undergone a usability trial by selected academics, and the resulting feedback will guide the future development of the underlying ELN technology.

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Accepted/In Press date: 13 February 2015
Published date: 23 March 2015
Organisations: Chemistry

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Local EPrints ID: 383711
URI: http://eprints.soton.ac.uk/id/eprint/383711
ISSN: 1549-9596
PURE UUID: 979d5f6b-08d2-43c6-9037-374d80ceeb03
ORCID for Simon Coles: ORCID iD orcid.org/0000-0001-8414-9272
ORCID for Jeremy Frey: ORCID iD orcid.org/0000-0003-0842-4302
ORCID for Richard Whitby: ORCID iD orcid.org/0000-0002-9891-5502

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Date deposited: 24 Nov 2015 16:55
Last modified: 18 Feb 2021 16:53

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Contributors

Author: Aileen E. Day
Author: Simon Coles ORCID iD
Author: Colin Bird
Author: Jeremy Frey ORCID iD
Author: Richard Whitby ORCID iD
Author: Valery E. Tkachenko
Author: Antony J. Williams

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